#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qp1 n PHE 2 N 0.00 -3.59 -1.89 1.12 3.72 -1.26 -2.44 117.46 113.12 2qp1 n PHE 2 Ca 0.00 2.12 -0.32 0.00 -0.05 0.00 0.00 57.45 59.20 2qp1 n PHE 2 Cb 0.00 -3.40 -0.04 0.00 -0.94 0.00 0.00 39.48 35.10 2qp1 n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2qp1 s THR 3 N -0.49 3.27 -0.68 4.37 -4.23 -1.26 -3.70 115.64 112.92 2qp1 s THR 3 Ca -0.12 -0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 60.24 2qp1 s THR 3 Cb 0.01 -3.66 0.18 0.00 1.34 0.00 0.00 72.50 70.36 2qp1 s THR 3 CO 0.32 -0.64 0.63 -0.63 -0.54 0.00 0.00 174.62 173.76 2qp1 s ILE 4 N 10.67 5.33 0.64 2.99 1.01 -0.50 -5.02 121.20 136.31 2qp1 s ILE 4 Ca 0.77 -2.05 -0.15 0.00 0.00 0.00 0.00 60.65 59.22 2qp1 s ILE 4 Cb -0.12 -4.35 -0.01 0.00 0.01 0.00 0.00 42.46 37.98 2qp1 s ILE 4 CO 0.14 -0.95 1.08 0.54 0.00 0.00 0.00 174.94 175.76 2qp1 s ASN 5 N 2.75 5.41 0.04 3.58 4.22 -1.26 0.19 114.94 129.86 2qp1 s ASN 5 Ca 0.11 1.89 -0.27 0.00 -2.14 0.00 0.00 52.86 52.44 2qp1 s ASN 5 Cb -0.20 -2.54 0.10 0.00 1.28 0.00 0.00 41.25 39.89 2qp1 s ASN 5 CO -0.03 -1.43 1.20 0.00 -2.04 0.00 0.00 177.10 174.80 2qp1 s ALA 6 N -2.46 -2.12 -0.26 3.54 0.00 -1.12 -4.59 121.76 114.75 2qp1 s ALA 6 Ca 0.65 0.20 -0.27 0.00 0.00 0.00 0.00 51.96 52.54 2qp1 s ALA 6 Cb -0.18 0.65 0.16 0.00 0.00 0.00 0.00 23.12 23.75 2qp1 s ALA 6 CO 0.41 -1.09 1.24 -1.83 0.00 0.00 0.00 175.76 174.49 2qp1 s GLU 7 N -2.33 0.26 0.95 0.00 -1.05 -0.84 -4.44 118.70 111.27 2qp1 s GLU 7 Ca 0.21 0.18 -0.15 0.00 -0.15 0.00 0.00 54.97 55.06 2qp1 s GLU 7 Cb 0.01 0.13 -0.06 0.00 -0.44 0.00 0.00 34.13 33.77 2qp1 s GLU 7 CO -0.00 -0.06 -0.16 0.28 0.95 0.00 0.00 175.26 176.27 2qp1 n VAL 8 N 1.24 0.08 -4.26 1.83 0.31 -1.26 -0.38 118.33 115.89 2qp1 n VAL 8 Ca -0.08 -0.35 -0.34 0.00 -0.01 0.00 0.00 64.34 63.57 2qp1 n VAL 8 Cb 0.57 -0.33 -0.09 0.00 -0.91 0.00 0.00 33.84 33.09 2qp1 n VAL 8 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2qp1 s ARG 9 N -2.79 2.93 0.02 5.55 3.52 -1.00 -4.49 118.95 122.69 2qp1 s ARG 9 Ca 0.49 -0.50 -0.27 0.00 -0.13 0.00 0.00 55.73 55.32 2qp1 s ARG 9 Cb -0.21 -2.77 -0.15 0.00 -1.56 0.00 0.00 34.95 30.26 2qp1 s ARG 9 CO 0.74 0.66 1.21 -0.22 -0.81 0.00 0.00 175.30 176.88 2qp1 h LYS 10 N 4.58 -0.95 0.00 5.12 3.64 -1.94 -3.47 116.57 123.54 2qp1 h LYS 10 Ca -0.50 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2qp1 h LYS 10 Cb 1.18 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 2qp1 h LYS 10 CO 0.57 -0.64 0.00 0.39 -2.27 0.00 0.00 179.45 177.51 2qp1 n GLU 11 N -5.18 1.26 -0.52 1.90 1.02 -1.26 -5.17 120.64 112.68 2qp1 n GLU 11 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2qp1 n GLU 11 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 2qp1 n GLU 11 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qp1 n GLN 12 N 0.00 0.00 0.00 3.49 -0.00 -1.26 -4.97 117.38 114.64 2qp1 n GLN 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2qp1 n GLN 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 2qp1 n GLN 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qp1 n GLY 13 N 0.00 1.92 0.15 2.61 0.00 -1.26 -3.60 105.19 105.02 2qp1 n GLY 13 Ca 0.00 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 2qp1 n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qp1 n LYS 14 N 13.05 0.56 0.00 1.61 4.81 -1.26 -4.27 118.16 132.66 2qp1 n LYS 14 Ca 0.00 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 2qp1 n LYS 14 Cb 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 33.60 2qp1 n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qp1 n GLY 15 N 1.36 -3.37 0.30 3.14 0.00 -1.26 -1.45 105.19 103.92 2qp1 n GLY 15 Ca -0.42 0.56 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 2qp1 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qp1 h ALA 16 N -1.79 -0.20 -0.64 4.61 0.00 -1.86 -2.50 119.26 116.88 2qp1 h ALA 16 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2qp1 h ALA 16 Cb 0.00 0.55 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 2qp1 h ALA 16 CO 0.00 -0.71 -0.54 0.77 0.00 0.00 0.00 179.25 178.77 2qp1 h SER 17 N -0.29 -1.89 -0.47 0.00 0.02 -1.68 0.37 113.55 109.61 2qp1 h SER 17 Ca 0.13 0.27 0.10 0.00 -0.84 0.00 0.00 61.79 61.45 2qp1 h SER 17 Cb 0.49 0.80 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 2qp1 h SER 17 CO -0.38 -0.31 0.33 0.03 -1.14 0.00 0.00 176.83 175.36 2qp1 h ARG 18 N -0.21 0.17 -0.29 3.45 3.08 -1.06 -1.38 114.38 118.14 2qp1 h ARG 18 Ca 0.11 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 2qp1 h ARG 18 Cb 0.48 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 2qp1 h ARG 18 CO -0.71 0.11 -0.32 0.00 -1.07 0.00 0.00 179.97 177.99 2qp1 h ARG 19 N 0.18 0.73 -0.42 0.04 3.08 0.06 -3.21 114.38 114.84 2qp1 h ARG 19 Ca 0.22 -0.40 0.06 0.00 0.07 0.00 0.00 59.98 59.93 2qp1 h ARG 19 Cb 0.65 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 2qp1 h ARG 19 CO -0.03 1.02 0.13 -0.07 -1.07 0.00 0.00 179.97 179.95 2qp1 h LEU 20 N 0.48 0.12 -2.43 3.04 3.38 0.31 -0.70 115.31 119.52 2qp1 h LEU 20 Ca 0.04 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2qp1 h LEU 20 Cb 0.90 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2qp1 h LEU 20 CO 0.08 0.10 0.05 0.03 0.09 0.00 0.00 178.44 178.79 2qp1 h ARG 21 N 0.29 0.00 0.00 1.13 3.08 -1.48 0.24 114.38 117.64 2qp1 h ARG 21 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2qp1 h ARG 21 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2qp1 h ARG 21 CO -0.21 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.69 2qp1 n ALA 22 N -2.31 1.60 -1.75 0.04 0.00 -0.27 -1.95 120.51 115.87 2qp1 n ALA 22 Ca -0.02 0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.53 2qp1 n ALA 22 Cb 0.14 -1.35 0.17 0.00 0.00 0.00 0.00 19.45 18.41 2qp1 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qp1 n ALA 23 N -1.72 3.53 0.00 0.00 0.00 0.82 -4.99 120.51 118.14 2qp1 n ALA 23 Ca 0.02 -3.19 0.00 0.00 0.00 0.00 0.00 53.44 50.27 2qp1 n ALA 23 Cb 0.20 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.24 2qp1 n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qp1 n ASN 24 N -0.87 0.00 -4.52 0.00 4.13 -0.82 -4.85 115.26 108.33 2qp1 n ASN 24 Ca 0.18 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.21 2qp1 n ASN 24 Cb 0.77 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.84 2qp1 n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qp1 n LYS 25 N 0.00 0.22 -3.53 3.52 5.02 -1.19 -3.25 118.16 118.95 2qp1 n LYS 25 Ca 0.00 -0.23 -0.32 0.00 -2.02 0.00 0.00 58.31 55.73 2qp1 n LYS 25 Cb 0.00 -1.96 -0.05 0.00 -0.02 0.00 0.00 35.03 32.99 2qp1 n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2qp1 s PHE 26 N 6.06 3.47 1.02 2.13 -0.12 -0.42 -3.22 117.98 126.90 2qp1 s PHE 26 Ca 1.20 0.76 -0.12 0.00 -0.05 0.00 0.00 56.93 58.71 2qp1 s PHE 26 Cb -0.66 -2.16 0.20 0.00 -0.63 0.00 0.00 43.02 39.77 2qp1 s PHE 26 CO 0.41 0.37 1.08 -1.25 -0.05 0.00 0.00 175.22 175.78 2qp1 s PRO 27 N -2.60 0.28 0.00 1.99 0.04 -1.24 -1.81 135.00 131.67 2qp1 s PRO 27 Ca 0.43 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.12 2qp1 s PRO 27 Cb -0.12 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2qp1 s PRO 27 CO 0.22 -2.86 0.00 0.00 0.04 0.00 0.00 177.00 174.39 2qp1 n ALA 28 N -4.29 0.00 -2.29 8.56 0.00 -1.10 -3.96 120.51 117.43 2qp1 n ALA 28 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.34 2qp1 n ALA 28 Cb 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 2qp1 n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2qp1 s ILE 29 N -2.00 1.12 -0.33 0.00 -5.25 -1.19 -3.03 121.20 110.52 2qp1 s ILE 29 Ca 0.00 -2.05 -0.01 0.00 -0.99 0.00 0.00 60.65 57.59 2qp1 s ILE 29 Cb 0.00 -2.09 0.12 0.00 2.95 0.00 0.00 42.46 43.45 2qp1 s ILE 29 CO 0.00 -0.54 0.18 -0.63 -1.79 0.00 0.00 174.94 172.16 2qp1 s ILE 30 N -3.36 0.14 0.29 8.37 1.01 -1.08 -1.19 121.20 125.38 2qp1 s ILE 30 Ca 0.22 -1.40 0.10 0.00 0.00 0.00 0.00 60.65 59.57 2qp1 s ILE 30 Cb 0.04 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.34 2qp1 s ILE 30 CO 0.05 -0.89 -0.03 -0.72 0.00 0.00 0.00 174.94 173.35 2qp1 s TYR 31 N 1.42 2.57 0.00 3.97 -0.85 -0.61 -0.43 117.35 123.41 2qp1 s TYR 31 Ca 0.15 -0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 2qp1 s TYR 31 Cb -0.20 -1.26 0.00 0.00 0.38 0.00 0.00 41.96 40.87 2qp1 s TYR 31 CO -0.13 0.58 0.00 0.41 -1.52 0.00 0.00 175.55 174.89 2qp1 n GLY 32 N -0.87 4.48 4.05 5.49 0.00 -1.26 -2.18 105.19 114.91 2qp1 n GLY 32 Ca -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2qp1 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qp1 n GLY 33 N -1.49 1.28 0.01 -0.02 0.00 -1.26 -4.04 105.19 99.67 2qp1 n GLY 33 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2qp1 n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qp1 n LYS 34 N 6.95 1.46 -2.74 1.61 2.85 -1.26 -5.02 118.16 122.00 2qp1 n LYS 34 Ca 0.00 -0.03 -0.40 0.00 -1.05 0.00 0.00 58.31 56.83 2qp1 n LYS 34 Cb 0.00 -1.12 -0.06 0.00 -0.65 0.00 0.00 35.03 33.20 2qp1 n LYS 34 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2qp1 s GLU 35 N -2.26 4.82 0.73 -1.58 2.02 -1.26 -5.04 118.70 116.14 2qp1 s GLU 35 Ca -0.02 1.49 -0.14 0.00 0.02 0.00 0.00 54.97 56.32 2qp1 s GLU 35 Cb 0.03 -3.30 0.04 0.00 0.10 0.00 0.00 34.13 30.99 2qp1 s GLU 35 CO 0.21 0.45 1.14 0.00 0.02 0.00 0.00 175.26 177.07 2qp1 s ALA 36 N -0.93 2.22 0.38 5.21 0.00 -1.26 -4.11 121.76 123.28 2qp1 s ALA 36 Ca 0.42 0.59 -0.25 0.00 0.00 0.00 0.00 51.96 52.73 2qp1 s ALA 36 Cb -0.26 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.38 2qp1 s ALA 36 CO 0.32 -1.69 0.83 -2.30 0.00 0.00 0.00 175.76 172.91 2qp1 n PRO 37 N -2.90 1.02 -3.24 0.00 -0.02 -1.26 -4.80 135.00 123.79 2qp1 n PRO 37 Ca 0.11 0.36 -0.44 0.00 -2.02 0.00 0.00 63.50 61.51 2qp1 n PRO 37 Cb 0.52 -1.76 -0.06 0.00 -0.02 0.00 0.00 33.50 32.17 2qp1 n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qp1 s LEU 38 N 0.63 5.35 -0.96 2.45 2.96 0.42 -4.80 118.68 124.73 2qp1 s LEU 38 Ca 0.62 -1.20 -0.23 0.00 -0.22 0.00 0.00 54.13 53.10 2qp1 s LEU 38 Cb -0.63 -2.32 0.06 0.00 0.50 0.00 0.00 46.19 43.81 2qp1 s LEU 38 CO 0.58 -0.84 1.36 0.00 -1.32 0.00 0.00 176.35 176.13 2qp1 s ALA 39 N 2.22 2.84 0.03 5.97 0.00 -1.26 -2.62 121.76 128.94 2qp1 s ALA 39 Ca 0.10 -2.24 0.00 0.00 0.00 0.00 0.00 51.96 49.82 2qp1 s ALA 39 Cb -0.23 -4.39 -0.00 0.00 0.00 0.00 0.00 23.12 18.50 2qp1 s ALA 39 CO 0.09 -3.44 0.01 0.44 0.00 0.00 0.00 175.76 172.85 2qp1 n ILE 40 N 6.56 0.00 -4.09 0.00 -0.00 -1.17 -2.37 119.36 118.29 2qp1 n ILE 40 Ca 0.27 -0.15 -0.09 0.00 -0.00 0.00 0.00 62.75 62.78 2qp1 n ILE 40 Cb 0.50 0.05 -0.10 0.00 -0.00 0.00 0.00 39.64 40.09 2qp1 n ILE 40 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 2qp1 s GLU 41 N -2.10 0.61 0.08 6.28 -1.05 0.49 -2.72 118.70 120.29 2qp1 s GLU 41 Ca 0.01 -1.12 0.03 0.00 -0.15 0.00 0.00 54.97 53.74 2qp1 s GLU 41 Cb 0.00 0.05 -0.03 0.00 -0.44 0.00 0.00 34.13 33.71 2qp1 s GLU 41 CO 0.01 -0.07 -0.09 -0.51 0.95 0.00 0.00 175.26 175.55 2qp1 s LEU 42 N -2.62 2.37 0.22 1.83 1.43 -0.75 -1.98 118.68 119.18 2qp1 s LEU 42 Ca 0.03 -0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 52.08 2qp1 s LEU 42 Cb 0.03 -0.23 -0.09 0.00 0.03 0.00 0.00 46.19 45.93 2qp1 s LEU 42 CO -0.07 -0.27 1.31 -0.62 0.23 0.00 0.00 176.35 176.93 2qp1 s ASP 43 N -2.24 6.89 0.00 2.29 -1.08 -1.26 -1.31 116.67 119.96 2qp1 s ASP 43 Ca 0.01 2.44 -0.06 0.00 -0.52 0.00 0.00 52.55 54.42 2qp1 s ASP 43 Cb -0.04 -2.62 -0.03 0.00 -1.46 0.00 0.00 42.92 38.77 2qp1 s ASP 43 CO -0.01 -0.52 0.74 -0.74 0.52 0.00 0.00 175.17 175.16 2qp1 h HIS 44 N 5.09 -0.19 -1.03 -5.34 -0.00 -1.88 -2.76 115.15 109.03 2qp1 h HIS 44 Ca -0.45 -0.00 0.40 0.00 -0.00 0.00 0.00 60.37 60.32 2qp1 h HIS 44 Cb 1.22 0.06 -0.15 0.00 -0.00 0.00 0.00 27.41 28.54 2qp1 h HIS 44 CO 0.61 -0.12 0.60 -0.25 -0.00 0.00 0.00 177.93 178.77 2qp1 n ASP 45 N -2.79 0.28 0.00 3.26 8.00 -1.26 -0.41 116.55 123.63 2qp1 n ASP 45 Ca -0.03 1.45 0.00 0.00 0.71 0.00 0.00 54.79 56.92 2qp1 n ASP 45 Cb 0.08 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 2qp1 n ASP 45 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qp1 n LYS 46 N -4.91 0.00 -0.37 -1.24 4.01 -1.23 -3.51 118.16 110.91 2qp1 n LYS 46 Ca 0.36 0.09 0.28 0.00 -0.51 0.00 0.00 58.31 58.53 2qp1 n LYS 46 Cb 1.27 -0.82 0.55 0.00 -0.51 0.00 0.00 35.03 35.51 2qp1 n LYS 46 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2qp1 h VAL 47 N 0.00 0.30 -0.76 -0.18 2.07 -1.17 0.28 116.25 116.78 2qp1 h VAL 47 Ca 0.00 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.55 2qp1 h VAL 47 Cb 0.00 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 29.73 2qp1 h VAL 47 CO 0.00 0.05 0.50 -0.03 0.02 0.00 0.00 177.57 178.11 2qp1 h MET 48 N 0.26 0.58 0.05 1.57 -1.53 -0.87 -1.30 114.93 113.70 2qp1 h MET 48 Ca 0.73 -0.03 -0.25 0.00 -3.44 0.00 0.00 59.70 56.70 2qp1 h MET 48 Cb 1.94 -0.13 -0.02 0.00 -0.55 0.00 0.00 31.60 32.84 2qp1 h MET 48 CO -0.46 0.38 -1.25 -0.91 0.14 0.00 0.00 176.91 174.82 2qp1 h ASN 49 N 0.60 0.17 -0.55 1.39 2.35 -0.48 -3.30 115.58 115.75 2qp1 h ASN 49 Ca 0.36 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 2qp1 h ASN 49 Cb 0.59 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 2qp1 h ASN 49 CO -0.13 1.17 -0.03 0.24 -1.65 0.00 0.00 177.43 177.03 2qp1 h MET 50 N 0.03 1.00 0.00 0.81 2.86 -1.09 -1.95 114.93 116.59 2qp1 h MET 50 Ca -0.12 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 2qp1 h MET 50 Cb 1.89 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.47 2qp1 h MET 50 CO 0.15 1.01 0.00 0.00 1.06 0.00 0.00 176.91 179.12 2qp1 n GLN 51 N -4.22 0.10 0.00 1.72 -0.00 -0.57 -1.84 117.38 112.57 2qp1 n GLN 51 Ca 0.02 0.22 0.11 0.00 -0.00 0.00 0.00 57.00 57.35 2qp1 n GLN 51 Cb 0.35 -1.50 0.52 0.00 -0.00 0.00 0.00 30.24 29.61 2qp1 n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qp1 n ALA 52 N -1.38 2.09 -3.24 2.61 0.00 -0.73 -4.60 120.51 115.26 2qp1 n ALA 52 Ca 0.05 -0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 2qp1 n ALA 52 Cb 0.12 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.07 2qp1 n ALA 52 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qp1 s LYS 53 N -2.88 3.53 0.50 0.00 -0.14 -0.77 -4.98 119.74 115.01 2qp1 s LYS 53 Ca 0.14 -0.55 0.41 0.00 -1.36 0.00 0.00 55.97 54.62 2qp1 s LYS 53 Cb 0.15 -3.13 1.61 0.00 -1.68 0.00 0.00 37.83 34.79 2qp1 s LYS 53 CO 0.40 -0.13 1.59 0.00 -0.76 0.00 0.00 175.35 176.45 2qp1 h ALA 54 N 7.98 3.35 -0.95 5.17 0.00 -1.87 0.57 119.26 133.51 2qp1 h ALA 54 Ca -0.39 0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.68 2qp1 h ALA 54 Cb 1.17 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 19.06 2qp1 h ALA 54 CO 0.60 -1.97 0.57 0.93 0.00 0.00 0.00 179.25 179.38 2qp1 h GLU 55 N 0.01 0.83 -1.02 0.00 3.07 -1.93 -0.57 114.58 114.96 2qp1 h GLU 55 Ca 0.90 -0.05 0.25 0.00 -0.50 0.00 0.00 59.36 59.96 2qp1 h GLU 55 Cb 3.26 -0.19 -0.11 0.00 -0.84 0.00 0.00 28.75 30.87 2qp1 h GLU 55 CO -0.22 0.55 0.62 0.35 -1.40 0.00 0.00 179.01 178.91 2qp1 h PHE 56 N 0.85 0.89 -0.03 4.33 3.57 -0.06 0.40 116.94 126.90 2qp1 h PHE 56 Ca 0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.02 2qp1 h PHE 56 Cb 0.58 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2qp1 h PHE 56 CO -0.03 0.07 -0.08 0.66 -2.23 0.00 0.00 178.31 176.70 2qp1 n TYR 57 N -4.79 0.00 0.00 0.41 4.02 -0.44 -4.46 117.16 111.91 2qp1 n TYR 57 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 2qp1 n TYR 57 Cb 0.79 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.11 2qp1 n TYR 57 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2qp1 n SER 58 N 1.03 0.00 -4.92 7.72 7.64 0.11 -4.88 113.62 120.31 2qp1 n SER 58 Ca 0.12 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.74 2qp1 n SER 58 Cb 0.54 -0.34 0.03 0.00 -1.01 0.00 0.00 64.21 63.43 2qp1 n SER 58 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2qp1 s GLU 59 N -0.78 2.88 0.73 1.43 -6.30 0.28 -4.98 118.70 111.95 2qp1 s GLU 59 Ca 0.00 -0.06 -0.12 0.00 -2.50 0.00 0.00 54.97 52.28 2qp1 s GLU 59 Cb 0.00 -2.29 0.19 0.00 0.00 0.00 0.00 34.13 32.03 2qp1 s GLU 59 CO 0.00 -0.71 0.43 0.28 0.02 0.00 0.00 175.26 175.28 2qp1 n VAL 60 N -2.57 0.00 -3.92 3.70 0.31 -1.26 -4.62 118.33 109.97 2qp1 n VAL 60 Ca 0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.36 2qp1 n VAL 60 Cb 0.58 -0.49 -0.01 0.00 -0.91 0.00 0.00 33.84 33.02 2qp1 n VAL 60 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qp1 n LEU 61 N 0.00 0.00 -3.35 7.52 4.77 -1.03 -4.89 117.00 120.01 2qp1 n LEU 61 Ca 0.07 -0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 55.62 2qp1 n LEU 61 Cb 0.30 0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 2qp1 n LEU 61 CO 0.19 -0.05 -0.13 0.42 -1.33 0.00 0.00 177.39 176.49 2qp1 s THR 62 N -2.21 -0.43 0.45 -5.08 -4.23 -1.02 -3.55 115.64 99.57 2qp1 s THR 62 Ca 0.03 -0.72 -0.12 0.00 -1.18 0.00 0.00 61.69 59.70 2qp1 s THR 62 Cb 0.00 -0.75 -0.07 0.00 1.34 0.00 0.00 72.50 73.02 2qp1 s THR 62 CO 0.02 -0.48 0.85 -0.63 -0.54 0.00 0.00 174.62 173.84 2qp1 s ILE 63 N 1.83 4.71 -0.75 2.99 1.09 -1.25 -1.41 121.20 128.40 2qp1 s ILE 63 Ca 0.14 0.80 0.03 0.00 -1.10 0.00 0.00 60.65 60.53 2qp1 s ILE 63 Cb -0.14 -3.74 0.24 0.00 -1.06 0.00 0.00 42.46 37.76 2qp1 s ILE 63 CO -0.14 -0.61 0.80 0.52 -0.10 0.00 0.00 174.94 175.40 2qp1 n VAL 64 N -1.49 2.70 -3.01 2.92 0.31 0.50 -3.48 118.33 116.77 2qp1 n VAL 64 Ca 0.04 -5.23 -0.28 0.00 -0.01 0.00 0.00 64.34 58.86 2qp1 n VAL 64 Cb 0.54 -2.16 -0.02 0.00 -0.91 0.00 0.00 33.84 31.29 2qp1 n VAL 64 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2qp1 s VAL 65 N -2.16 4.94 0.00 2.52 -7.23 -1.19 -2.80 120.40 114.48 2qp1 s VAL 65 Ca 0.34 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.69 2qp1 s VAL 65 Cb 0.06 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.22 2qp1 s VAL 65 CO -0.05 -0.56 0.00 -0.67 -0.31 0.00 0.00 175.10 173.52 2qp1 n ASP 66 N -1.52 0.00 0.00 4.85 4.64 -1.26 -1.66 116.55 121.60 2qp1 n ASP 66 Ca -0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2qp1 n ASP 66 Cb 0.55 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.63 2qp1 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2qp1 n GLY 67 N 0.00 0.95 0.00 0.27 0.00 -1.26 -4.99 105.19 100.15 2qp1 n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qp1 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qp1 n LYS 68 N 0.00 3.40 -4.39 1.61 5.02 -0.66 -5.13 118.16 118.01 2qp1 n LYS 68 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 2qp1 n LYS 68 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 2qp1 n LYS 68 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2qp1 n GLU 69 N 0.00 0.82 0.00 1.97 0.00 -1.26 -3.17 120.64 119.00 2qp1 n GLU 69 Ca 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 57.16 53.82 2qp1 n GLU 69 Cb 0.00 1.09 0.00 0.00 0.00 0.00 0.00 31.44 32.53 2qp1 n GLU 69 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 2qp1 n ILE 70 N -1.08 0.00 -2.89 3.84 -0.00 -1.23 -4.88 119.36 113.11 2qp1 n ILE 70 Ca -0.16 0.00 -0.06 0.00 -0.00 0.00 0.00 62.75 62.53 2qp1 n ILE 70 Cb 0.58 -0.07 0.01 0.00 -0.00 0.00 0.00 39.64 40.16 2qp1 n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2qp1 n LYS 71 N -1.75 -2.60 -4.36 6.28 5.02 -1.26 -4.83 118.16 114.67 2qp1 n LYS 71 Ca 0.00 2.20 -0.19 0.00 -2.02 0.00 0.00 58.31 58.31 2qp1 n LYS 71 Cb 0.00 -4.60 -0.10 0.00 -0.02 0.00 0.00 35.03 30.31 2qp1 n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2qp1 s VAL 72 N -1.84 1.64 0.87 -0.18 -7.23 -1.23 -3.75 120.40 108.68 2qp1 s VAL 72 Ca 0.11 -2.17 -0.12 0.00 -1.81 0.00 0.00 61.98 57.99 2qp1 s VAL 72 Cb -0.03 -2.14 0.11 0.00 0.56 0.00 0.00 36.38 34.89 2qp1 s VAL 72 CO 0.69 -0.53 1.16 -0.54 -0.31 0.00 0.00 175.10 175.57 2qp1 s LYS 73 N -3.68 1.48 -0.39 4.82 1.02 0.26 -2.48 119.74 120.78 2qp1 s LYS 73 Ca 0.24 0.20 -0.02 0.00 0.02 0.00 0.00 55.97 56.41 2qp1 s LYS 73 Cb 0.01 -1.89 0.10 0.00 -0.52 0.00 0.00 37.83 35.53 2qp1 s LYS 73 CO 0.08 -1.94 0.16 0.00 -0.92 0.00 0.00 175.35 172.73 2qp1 s ALA 74 N -3.42 3.09 0.00 5.17 0.00 -1.26 -1.97 121.76 123.38 2qp1 s ALA 74 Ca 0.63 -2.47 0.00 0.00 0.00 0.00 0.00 51.96 50.12 2qp1 s ALA 74 Cb -0.13 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.68 2qp1 s ALA 74 CO 0.51 -1.74 0.00 1.04 0.00 0.00 0.00 175.76 175.57 2qp1 n GLN 75 N 4.55 0.00 -4.28 0.00 1.13 0.14 -4.84 117.38 114.08 2qp1 n GLN 75 Ca -0.02 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.81 2qp1 n GLN 75 Cb 0.42 -0.11 -0.07 0.00 0.11 0.00 0.00 30.24 30.59 2qp1 n GLN 75 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2qp1 s ASP 76 N -1.67 4.51 -0.02 1.08 -1.08 -1.24 -4.93 116.67 113.32 2qp1 s ASP 76 Ca 0.00 -0.69 0.03 0.00 -0.52 0.00 0.00 52.55 51.36 2qp1 s ASP 76 Cb 0.00 -0.80 -0.00 0.00 -1.46 0.00 0.00 42.92 40.66 2qp1 s ASP 76 CO 0.00 -0.05 -0.09 0.54 0.52 0.00 0.00 175.17 176.09 2qp1 s VAL 77 N -2.35 0.75 -0.20 1.11 0.11 -1.26 0.39 120.40 118.94 2qp1 s VAL 77 Ca 0.32 -0.37 -0.02 0.00 -2.93 0.00 0.00 61.98 58.97 2qp1 s VAL 77 Cb -0.06 -0.65 -0.00 0.00 -1.53 0.00 0.00 36.38 34.14 2qp1 s VAL 77 CO 0.20 0.22 -0.08 -1.10 -3.33 0.00 0.00 175.10 171.01 2qp1 s GLN 78 N -0.02 3.31 0.31 1.54 -0.21 -0.34 -4.99 119.66 119.26 2qp1 s GLN 78 Ca 0.00 -0.67 0.11 0.00 0.02 0.00 0.00 55.36 54.82 2qp1 s GLN 78 Cb -0.06 -2.87 -0.06 0.00 1.00 0.00 0.00 33.01 31.02 2qp1 s GLN 78 CO -0.00 -0.14 -0.14 -0.98 -2.12 0.00 0.00 175.29 171.91 2qp1 s ARG 79 N 1.28 1.76 0.50 2.91 1.70 -1.26 0.36 118.95 126.20 2qp1 s ARG 79 Ca 0.03 -1.85 -0.22 0.00 -0.47 0.00 0.00 55.73 53.22 2qp1 s ARG 79 Cb -0.14 -1.75 -0.07 0.00 -0.57 0.00 0.00 34.95 32.42 2qp1 s ARG 79 CO -0.04 0.24 1.15 1.58 -1.08 0.00 0.00 175.30 177.15 2qp1 n HIS 80 N -0.71 1.59 -0.04 5.89 -0.00 -0.45 -4.89 115.22 116.62 2qp1 n HIS 80 Ca -0.05 0.48 0.21 0.00 -0.00 0.00 0.00 57.72 58.35 2qp1 n HIS 80 Cb 0.62 -2.27 0.67 0.00 -0.00 0.00 0.00 29.99 29.01 2qp1 n HIS 80 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2qp1 h PRO 81 N 1.35 0.04 0.00 1.57 0.11 -2.00 -3.36 132.00 129.71 2qp1 h PRO 81 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qp1 h PRO 81 Cb 1.33 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2qp1 h PRO 81 CO 0.56 0.03 0.00 2.48 -0.21 0.00 0.00 178.00 180.86 2qp1 n TYR 82 N -4.38 0.00 -2.87 0.65 0.18 -1.26 -5.08 117.16 104.41 2qp1 n TYR 82 Ca 0.11 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.47 2qp1 n TYR 82 Cb 0.64 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.56 2qp1 n TYR 82 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2qp1 s LYS 83 N -0.07 4.20 -0.78 -3.48 1.02 -1.26 -4.95 119.74 114.42 2qp1 s LYS 83 Ca 0.00 1.00 -0.24 0.00 0.02 0.00 0.00 55.97 56.74 2qp1 s LYS 83 Cb 0.00 -3.64 -0.16 0.00 -0.52 0.00 0.00 37.83 33.52 2qp1 s LYS 83 CO 0.00 -0.51 2.39 -2.30 -0.92 0.00 0.00 175.35 174.02 2qp1 n PRO 84 N 5.95 0.55 0.00 -1.68 -0.02 -1.26 -4.08 135.00 134.46 2qp1 n PRO 84 Ca 0.06 -0.63 0.00 0.00 -2.02 0.00 0.00 63.50 60.91 2qp1 n PRO 84 Cb 0.47 -3.32 0.00 0.00 -0.02 0.00 0.00 33.50 30.63 2qp1 n PRO 84 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2qp1 n LYS 85 N 8.46 0.00 -2.02 -0.52 2.85 -1.26 -5.05 118.16 120.62 2qp1 n LYS 85 Ca 0.49 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.55 2qp1 n LYS 85 Cb 0.40 0.00 0.11 0.00 -0.65 0.00 0.00 35.03 34.90 2qp1 n LYS 85 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2qp1 n LEU 86 N 0.00 0.00 0.00 -5.58 4.77 -1.26 -1.34 117.00 113.59 2qp1 n LEU 86 Ca 0.00 -1.56 0.00 0.00 -0.03 0.00 0.00 56.01 54.42 2qp1 n LEU 86 Cb 0.00 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 2qp1 n LEU 86 CO 0.00 -0.98 0.00 0.00 -1.33 0.00 0.00 177.39 175.08 2qp1 n GLN 87 N -2.67 0.00 -3.27 3.23 6.02 0.16 -4.54 117.38 116.29 2qp1 n GLN 87 Ca 0.13 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.16 2qp1 n GLN 87 Cb 0.47 -0.24 -0.03 0.00 1.02 0.00 0.00 30.24 31.47 2qp1 n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2qp1 s HIS 88 N -1.00 -0.83 0.15 1.08 5.04 -1.04 -3.67 115.29 115.01 2qp1 s HIS 88 Ca 0.00 1.11 0.04 0.00 -1.54 0.00 0.00 55.06 54.68 2qp1 s HIS 88 Cb 0.00 0.38 -0.04 0.00 0.04 0.00 0.00 32.58 32.96 2qp1 s HIS 88 CO 0.00 -0.44 0.18 0.42 -2.34 0.00 0.00 174.74 172.56 2qp1 s ILE 89 N 2.73 4.76 -0.38 0.89 1.09 -1.25 -1.20 121.20 127.84 2qp1 s ILE 89 Ca 0.02 -0.93 -0.08 0.00 -1.10 0.00 0.00 60.65 58.56 2qp1 s ILE 89 Cb -0.10 -3.43 0.05 0.00 -1.06 0.00 0.00 42.46 37.93 2qp1 s ILE 89 CO -0.16 -0.09 0.19 -1.81 -0.10 0.00 0.00 174.94 172.97 2qp1 s ASP 90 N -3.09 5.54 -0.17 3.58 1.11 0.16 -3.20 116.67 120.60 2qp1 s ASP 90 Ca 0.32 -1.25 -0.09 0.00 0.18 0.00 0.00 52.55 51.70 2qp1 s ASP 90 Cb -0.11 -1.95 -0.05 0.00 1.07 0.00 0.00 42.92 41.89 2qp1 s ASP 90 CO 0.25 -0.42 0.15 -0.36 1.18 0.00 0.00 175.17 175.96 2qp1 s PHE 91 N 1.44 3.47 -0.14 4.23 2.99 -0.33 0.25 117.98 129.89 2qp1 s PHE 91 Ca 0.01 0.41 0.01 0.00 0.00 0.00 0.00 56.93 57.36 2qp1 s PHE 91 Cb -0.21 -2.11 0.02 0.00 0.00 0.00 0.00 43.02 40.72 2qp1 s PHE 91 CO 0.03 0.41 -0.16 0.08 -0.00 0.00 0.00 175.22 175.58 2qp1 s VAL 92 N -0.01 1.66 -0.49 -0.44 1.01 -0.83 -1.58 120.40 119.72 2qp1 s VAL 92 Ca 0.11 -0.71 -0.37 0.00 0.00 0.00 0.00 61.98 61.00 2qp1 s VAL 92 Cb -0.11 -1.52 -0.15 0.00 0.00 0.00 0.00 36.38 34.60 2qp1 s VAL 92 CO 0.00 0.47 2.25 0.54 0.00 0.00 0.00 175.10 178.36 2qp1 n ARG 93 N 4.46 0.58 0.00 2.72 1.74 -0.93 -0.57 116.66 124.66 2qp1 n ARG 93 Ca -0.18 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2qp1 n ARG 93 Cb 0.51 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 2qp1 n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11